Task 38678490

Name test_430-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND6800_0
Workunit 31620308
Created 26 Oct 2026, 17:35:31 UTC
Sent 26 Oct 2026, 17:35:32 UTC
Report deadline 31 Oct 2026, 17:35:32 UTC
Received 26 Oct 2026, 17:58:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654663
Run time 22 min 35 sec
CPU time 17 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.89 MB
Peak swap size 8.62 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:37:04 (32716): wrapper (7.9.26016): starting
18:37:04 (32716): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
18:37:05 (32716): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:37:05 (32716): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
18:58:14 (32716): C:/Windows/system32/cmd.exe exited; CPU time 1063.000000
18:58:14 (32716): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 29893639 bytes.
Dumping objects ->
{3835219} normal block at 0x000001DC37F58320, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000001DC37F588D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000001DC37F58780, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000001DC37F582B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001DC36255630, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x000001DC37F68A80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000001DC37F7F7B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835130} normal block at 0x000001DC3624DC60, 8 bytes long.
 Data: <  n6&#220;   > 00 00 6E 36 DC 01 00 00 
{3834536} normal block at 0x000001DC37F7F2E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001DC3624E2A0, 8 bytes long.
 Data: <&#208;I%6&#220;   > D0 49 25 36 DC 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001DC36251970, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001DC362466D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001DC36255F60, 16 bytes long.
 Data: <&#184;p%6&#220;           > B8 70 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DC36256D20, 16 bytes long.
 Data: < p%6&#220;           > 90 70 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DC3624FC20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001DC362561E0, 16 bytes long.
 Data: <hp%6&#220;           > 68 70 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DC36256460, 16 bytes long.
 Data: <@p%6&#220;           > 40 70 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001DC36256730, 16 bytes long.
 Data: < p%6&#220;           > 18 70 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DC36256780, 16 bytes long.
 Data: <&#240;o%6&#220;           > F0 6F 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DC36255710, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001DC36256870, 16 bytes long.
 Data: < &#142;$6&#220;           > 98 8E 24 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DC3624FBC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001DC36256410, 16 bytes long.
 Data: <p&#142;$6&#220;           > 70 8E 24 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DC36256140, 16 bytes long.
 Data: <H&#142;$6&#220;           > 48 8E 24 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DC362565F0, 16 bytes long.
 Data: < &#142;$6&#220;           > 20 8E 24 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DC36256190, 16 bytes long.
 Data: <&#248; $6&#220;           > F8 8D 24 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DC36256370, 16 bytes long.
 Data: <&#208; $6&#220;           > D0 8D 24 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DC36256A00, 16 bytes long.
 Data: <&#168; $6&#220;           > A8 8D 24 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DC36250160, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001DC36256C80, 16 bytes long.
 Data: <  $6&#220;           > 80 8D 24 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DC36248D80, 320 bytes long.
 Data: < l%6&#220;   ` %6&#220;   > 80 6C 25 36 DC 01 00 00 60 01 25 36 DC 01 00 00 
{276} normal block at 0x000001DC36256BE0, 16 bytes long.
 Data: <&#208;o%6&#220;           > D0 6F 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DC36256AF0, 16 bytes long.
 Data: <&#168;o%6&#220;           > A8 6F 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DC3624FD40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001DC36255FB0, 16 bytes long.
 Data: < o%6&#220;           > 80 6F 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DC3624FF20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001DC36256320, 16 bytes long.
 Data: <&#200;n%6&#220;           > C8 6E 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DC362566E0, 16 bytes long.
 Data: <&#160;n%6&#220;           > A0 6E 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DC36256690, 16 bytes long.
 Data: <xn%6&#220;           > 78 6E 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DC36256C30, 16 bytes long.
 Data: <Pn%6&#220;           > 50 6E 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DC362562D0, 16 bytes long.
 Data: <(n%6&#220;           > 28 6E 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DC36256500, 16 bytes long.
 Data: < n%6&#220;           > 00 6E 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DC36255EC0, 16 bytes long.
 Data: < S%6&#220;           > 20 53 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DC36255320, 40 bytes long.
 Data: <&#192;^%6&#220;    &#138;&#246;7&#220;   > C0 5E 25 36 DC 01 00 00 80 8A F6 37 DC 01 00 00 
{262} normal block at 0x000001DC362560A0, 16 bytes long.
 Data: <&#224;m%6&#220;           > E0 6D 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DC36256550, 16 bytes long.
 Data: <&#184;m%6&#220;           > B8 6D 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DC36250700, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001DC362564B0, 16 bytes long.
 Data: < m%6&#220;           > 90 6D 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DC36256D90, 992 bytes long.
 Data: <&#176;d%6&#220;     %6&#220;   > B0 64 25 36 DC 01 00 00 00 07 25 36 DC 01 00 00 
{94} normal block at 0x000001DC36250040, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001DC3624E070, 16 bytes long.
 Data: < P%6&#220;           > 10 50 25 36 DC 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001DC36255010, 40 bytes long.
 Data: <p&#224;$6&#220;   @ %6&#220;   > 70 E0 24 36 DC 01 00 00 40 00 25 36 DC 01 00 00 
{71} normal block at 0x000001DC3624DD00, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 18 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001DC3624E430, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 18 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001DC3624D8F0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DC3624DCB0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DC3624E3E0, 16 bytes long.
 Data: <P   &#247;           > 50 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DC3624DE90, 16 bytes long.
 Data: <0   &#247;           > 30 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DC3624E660, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DC3624DD50, 16 bytes long.
 Data: <    &#247;           > 10 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DC3624D990, 16 bytes long.
 Data: <p   &#247;           > 70 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DC3624E0C0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 13 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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